Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2,3-dihydroxypropyl(methyl)amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2,3-dihydroxypropyl(methyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2,3-dihydroxypropyl(methyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2,3-bis(oxidanyl)propyl-methyl-amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C27H37NO10
MOLECULAR WEIGHT: 535.58338
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)CC(CO)O)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[benzyl(2-cyanoethyl)amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-cyanoethyl-(phenylmethyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[benzyl(2-cyanoethyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[2-cyanoethyl-(phenylmethyl)amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C33H38N2O8
MOLECULAR WEIGHT: 590.66342
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CCC#N)CC5=CC=CC=C5)/C4=C(C3=O)O)COC)C)C
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IUPAC NAME:
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MOLECULAR FORMULA: C20H26O7
MOLECULAR WEIGHT: 378.41624
SMILES: CC1C(O1)(C)C(=O)O[C@@H]2C[C@]3([C@@H](C[C@@H]4[C@]([C@@H]3[C@@H]5[C@@H]2C(=C)C(=O)O5)(O4)C)O)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis(2-hydroxyethyl)amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis(2-hydroxyethyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis(2-hydroxyethyl)amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis(2-hydroxyethyl)amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C27H37NO10
MOLECULAR WEIGHT: 535.58338
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CCO)CCO)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: 4-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetoxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]-methyl-amino]butanoic acid
CAS Name: 4-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-6-ylidene]methyl]-methylamino]butanoic acid
IUPAC NAME: 4-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]-methylamino]butanoic acid
SYSTEMATIC NAME: 4-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]-methyl-amino]butanoic acid
MOLECULAR FORMULA: C28H37NO10
MOLECULAR WEIGHT: 547.59408
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)CCCC(=O)O)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: tert-butyl 2-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetoxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]-methyl-amino]acetate
CAS Name: 2-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-6-ylidene]methyl]-methylamino]acetic acid tert-butyl ester
IUPAC NAME: tert-butyl 2-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]-methylamino]acetate
SYSTEMATIC NAME: tert-butyl 2-[[(E)-[(1S,3aR,9S,9aR,10R,11aS)-10-acetyloxy-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-6-ylidene]methyl]-methyl-amino]ethanoate
MOLECULAR FORMULA: C30H41NO10
MOLECULAR WEIGHT: 575.64724
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)CC(=O)OC(C)(C)C)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: 6-[[(4R)-4-isopropenylcyclohexen-1-yl]methoxy]-7H-purin-2-amine
CAS Name: 6-[[(4R)-4-(1-methylethenyl)-1-cyclohexenyl]methoxy]-7H-purin-2-amine
IUPAC NAME: 6-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methoxy]-7H-purin-2-amine
SYSTEMATIC NAME: 6-[[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]methoxy]-7H-purin-2-amine
MOLECULAR FORMULA: C15H19N5O
MOLECULAR WEIGHT: 285.34426
SMILES: CC(=C)[C@@H]1CCC(=CC1)COC2=NC(=NC3=C2NC=N3)N
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Product OPENEYE NAME: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-4-yl] 3-hydroxy-2-methylene-butanoate
CAS Name: 3-hydroxy-2-methylenebutanoic acid [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-4-yl] ester
IUPAC NAME: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] 3-hydroxy-2-methylidenebutanoate
SYSTEMATIC NAME: [(3aR,4R,5aR,6R,9aS,9bR)-5a,9-dimethyl-3-methylidene-6-oxidanyl-2-oxidanylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] 2-methylidene-3-oxidanyl-butanoate
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: CC1=CC[C@H]([C@]2([C@H]1[C@@H]3[C@@H]([C@@H](C2)OC(=O)C(=C)C(C)O)C(=C)C(=O)O3)C)O
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Product OPENEYE NAME: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-4-yl] 2,3-dimethyloxirane-2-carboxylate
CAS Name: 2,3-dimethyl-2-oxiranecarboxylic acid [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g]benzofuran-4-yl] ester
IUPAC NAME: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] 2,3-dimethyloxirane-2-carboxylate
SYSTEMATIC NAME: [(3aR,4R,5aR,6R,9aS,9bR)-5a,9-dimethyl-3-methylidene-6-oxidanyl-2-oxidanylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] 2,3-dimethyloxirane-2-carboxylate
MOLECULAR FORMULA: C20H26O6
MOLECULAR WEIGHT: 362.41684
SMILES: CC1C(O1)(C)C(=O)O[C@@H]2C[C@]3([C@@H](CC=C([C@@H]3[C@@H]4[C@@H]2C(=C)C(=O)O4)C)O)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methylene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-(1-methyl-3-pyrrolidinyl)amino]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methylidene]-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-9a,11a-dimethyl-6-[[methyl-(1-methylpyrrolidin-3-yl)amino]methylidene]-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C29H40N2O8
MOLECULAR WEIGHT: 544.6365
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)C5CCN(C5)C)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-6-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl-methyl-amino]methylene]-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-6-[[3-[4-(4-methoxyphenyl)-1-piperazinyl]propyl-methylamino]methylidene]-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-1,5-dihydroxy-9-(methoxymethyl)-6-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl-methylamino]methylidene]-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-9-(methoxymethyl)-6-[[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl-methyl-amino]methylidene]-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C38H51N3O9
MOLECULAR WEIGHT: 693.82624
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(C)CCCN5CCN(CC5)C6=CC=C(C=C6)OC)/C4=C(C3=O)O)COC)C)C
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Product OPENEYE NAME: (2-iodo-5-nitro-phenyl)-[2-methyl-1-[(1-methyl-2-piperidyl)methyl]indol-3-yl]methanone
CAS Name: (2-iodo-5-nitrophenyl)-[2-methyl-1-[(1-methyl-2-piperidinyl)methyl]-3-indolyl]methanone
IUPAC NAME: (2-iodo-5-nitrophenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
SYSTEMATIC NAME: (2-iodanyl-5-nitro-phenyl)-[2-methyl-1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
MOLECULAR FORMULA: C23H24IN3O3
MOLECULAR WEIGHT: 517.35943
SMILES: CC1=C(C2=CC=CC=C2N1CC3CCCCN3C)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])I
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Product OPENEYE NAME: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g]benzofuran-4-yl] 2,3-dihydroxy-2-methyl-butanoate
CAS Name: 2,3-dihydroxy-2-methylbutanoic acid [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g]benzofuran-4-yl] ester
IUPAC NAME: [(3aR,4R,5aR,6R,9aS,9bR)-6-hydroxy-5a-methyl-3,9-dimethylidene-2-oxo-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] 2,3-dihydroxy-2-methylbutanoate
SYSTEMATIC NAME: [(3aR,4R,5aR,6R,9aS,9bR)-5a-methyl-3,9-dimethylidene-6-oxidanyl-2-oxidanylidene-3a,4,5,6,7,8,9a,9b-octahydrobenzo[g][1]benzofuran-4-yl] 2-methyl-2,3-bis(oxidanyl)butanoate
MOLECULAR FORMULA: C20H28O7
MOLECULAR WEIGHT: 380.43212
SMILES: CC(C(C)(C(=O)O[C@@H]1C[C@]2([C@@H](CCC(=C)[C@@H]2[C@@H]3[C@@H]1C(=C)C(=O)O3)O)C)O)O
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MOLECULAR FORMULA: C26H36O4
MOLECULAR WEIGHT: 412.56164
SMILES: C[C@]12CCC[C@]([C@H]1CC[C@@]3([C@@H]2CC[C@]4([C@H]3CC5=C(O4)C=CC(=C5)O)C)C)(C)C(=O)O
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Product OPENEYE NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis[3-(dimethylamino)propyl]amino]methylene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
CAS Name: acetic acid [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis[3-(dimethylamino)propyl]amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h][2]benzopyran-10-yl] ester
IUPAC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis[3-(dimethylamino)propyl]amino]methylidene]-1,5-dihydroxy-9-(methoxymethyl)-9a,11a-dimethyl-4,7-dioxo-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] acetate
SYSTEMATIC NAME: [(1S,3aR,6E,9S,9aR,10R,11aS)-6-[[bis[3-(dimethylamino)propyl]amino]methylidene]-9-(methoxymethyl)-9a,11a-dimethyl-1,5-bis(oxidanyl)-4,7-bis(oxidanylidene)-2,3,3a,9,10,11-hexahydro-1H-indeno[4,5-h]isochromen-10-yl] ethanoate
MOLECULAR FORMULA: C33H51N3O8
MOLECULAR WEIGHT: 617.77334
SMILES: CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)/C(=C/N(CCCN(C)C)CCCN(C)C)/C4=C(C3=O)O)COC)C)C
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